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Title: Role of Water in the Reversible Optoelectronic Degradation in Hybrid Perovskites at Low Pressure

There is no doubt about the potential offered by the low-cost fabrication and high efficiency of hybrid organic–inorganic perovskite solar cells. However, the service lifetimes of these devices must be increased from months to years to capitalize on their potential. The archetypal hybrid perovskite for solar cells, methylammonium lead iodide (CH 3NH 3PbI 3, abbreviated MAPI), readily degrades in ambient atmosphere under standard operating conditions. Understanding the origin and effects of this degradation can pave the way to better engineer photovoltaic devices and the perovskite material itself. Herein we present the effects of varying pressure on the electrical performance of MAPI solar cells. Solar cell parameters, especially open circuit voltage, are significantly affected by the total ambient pressure and present an unexpected reversible behavior upon pressure cycling. We complement photoluminescence studies as a function of ambient atmosphere and temperature with first-principles density functional theory (DFT) calculations. The results suggest that the reversible intercalation of water in MAPI is a necessary component underlying this behavior.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [3] ;  [4] ;  [4] ;  [5] ;  [5] ;  [4] ; ORCiD logo [6] ;  [7] ; ORCiD logo [2]
  1. Arizona State Univ., Tempe, AZ (United States). School of Electrical, Computer, and Energy Engineering and School of Molecular Sciences
  2. Arizona State Univ., Tempe, AZ (United States). School of Electrical, Computer, and Energy Engineering
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
  4. Federal Inst. of Technology, Lausanne (Switzerland). Inst. of Microengineering
  5. Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials and Advanced Photon Source
  6. Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials; Univ. of Chicago, IL (United States). Computation Inst.
  7. Univ. of California, San Diego, CA (United States). Dept. of Nanoengineering
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-05CH11231; 1144616; SI/501072-01; EEC-1041895
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 46
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; National Science Foundation (NSF); Swiss National Science Foundation (SNSF); Swiss Federal Office of Energy (SFOE); Nano-Tera.CH (NTCH) Initiative; Univ. of California, San Diego, CA (United States)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 14 SOLAR ENERGY
OSTI Identifier:
1432957

Hall, Genevieve N., Stuckelberger, Michael, Nietzold, Tara, Hartman, Jessi, Park, Ji-Sang, Werner, Jeremie, Niesen, Bjoern, Cummings, Marvin L., Rose, Volker, Ballif, C, Chan, Maria K. Y., Fenning, David P., and Bertoni, Mariana I.. Role of Water in the Reversible Optoelectronic Degradation in Hybrid Perovskites at Low Pressure. United States: N. p., Web. doi:10.1021/acs.jpcc.7b06402.
Hall, Genevieve N., Stuckelberger, Michael, Nietzold, Tara, Hartman, Jessi, Park, Ji-Sang, Werner, Jeremie, Niesen, Bjoern, Cummings, Marvin L., Rose, Volker, Ballif, C, Chan, Maria K. Y., Fenning, David P., & Bertoni, Mariana I.. Role of Water in the Reversible Optoelectronic Degradation in Hybrid Perovskites at Low Pressure. United States. doi:10.1021/acs.jpcc.7b06402.
Hall, Genevieve N., Stuckelberger, Michael, Nietzold, Tara, Hartman, Jessi, Park, Ji-Sang, Werner, Jeremie, Niesen, Bjoern, Cummings, Marvin L., Rose, Volker, Ballif, C, Chan, Maria K. Y., Fenning, David P., and Bertoni, Mariana I.. 2017. "Role of Water in the Reversible Optoelectronic Degradation in Hybrid Perovskites at Low Pressure". United States. doi:10.1021/acs.jpcc.7b06402. https://www.osti.gov/servlets/purl/1432957.
@article{osti_1432957,
title = {Role of Water in the Reversible Optoelectronic Degradation in Hybrid Perovskites at Low Pressure},
author = {Hall, Genevieve N. and Stuckelberger, Michael and Nietzold, Tara and Hartman, Jessi and Park, Ji-Sang and Werner, Jeremie and Niesen, Bjoern and Cummings, Marvin L. and Rose, Volker and Ballif, C and Chan, Maria K. Y. and Fenning, David P. and Bertoni, Mariana I.},
abstractNote = {There is no doubt about the potential offered by the low-cost fabrication and high efficiency of hybrid organic–inorganic perovskite solar cells. However, the service lifetimes of these devices must be increased from months to years to capitalize on their potential. The archetypal hybrid perovskite for solar cells, methylammonium lead iodide (CH3NH3PbI3, abbreviated MAPI), readily degrades in ambient atmosphere under standard operating conditions. Understanding the origin and effects of this degradation can pave the way to better engineer photovoltaic devices and the perovskite material itself. Herein we present the effects of varying pressure on the electrical performance of MAPI solar cells. Solar cell parameters, especially open circuit voltage, are significantly affected by the total ambient pressure and present an unexpected reversible behavior upon pressure cycling. We complement photoluminescence studies as a function of ambient atmosphere and temperature with first-principles density functional theory (DFT) calculations. The results suggest that the reversible intercalation of water in MAPI is a necessary component underlying this behavior.},
doi = {10.1021/acs.jpcc.7b06402},
journal = {Journal of Physical Chemistry. C},
number = 46,
volume = 121,
place = {United States},
year = {2017},
month = {10}
}